(1S,5S)-3-benzyl-3-azabicyclo[3.2.1]octan-8-ol

C14H19NO — CID 24823154

IUPAC(1S,5S)-3-benzyl-3-azabicyclo[3.2.1]octan-8-ol
SMILESOC1[C@H]2CC[C@H]1CN(Cc1ccccc1)C2
InChIInChI=1S/C14H19NO/c16-14-12-6-7-13(14)10-15(9-12)8-11-4-2-1-3-5-11/h1-5,12-14,16H,6-10H2/t12-,13-/m0/s1
InChIKeyQBGJTVIWVSLDFA-STQMWFEESA-N
MW217.31 g/mol
LogP1.89
Rot. Bonds2

About (1S,5S)-3-benzyl-3-azabicyclo[3.2.1]octan-8-ol

(1S,5S)-3-benzyl-3-azabicyclo[3.2.1]octan-8-ol (PubChem CID 24823154) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (1S,5S)-3-benzyl-3-azabicyclo[3.2.1]octan-8-ol.

Molecular Properties

Compound Name(1S,5S)-3-benzyl-3-azabicyclo[3.2.1]octan-8-ol
PubChem CID24823154
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(1S,5S)-3-benzyl-3-azabicyclo[3.2.1]octan-8-ol
SMILESOC1[C@H]2CC[C@H]1CN(Cc1ccccc1)C2
InChIInChI=1S/C14H19NO/c16-14-12-6-7-13(14)10-15(9-12)8-11-4-2-1-3-5-11/h1-5,12-14,16H,6-10H2/t12-,13-/m0/s1
InChIKeyQBGJTVIWVSLDFA-STQMWFEESA-N
XLogP1.89
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzyl-3-azabicyclo[3.2.0]heptane
CID 70581599
1-benzylazepane-3,4,5,6-tetrol
CID 18417354
(3S,4R,5R,6S)-1-benzylazepane-3,4,5,6-tetrol
CID 10824756
7-benzyl-3,3-dioxo-3λ6-thia-7-azabicyclo[3.3.1]nonan-9-ol
CID 58414535
(1S,5S)-3-benzyl-3-azabicyclo[3.1.0]hexane
CID 98048046
(1S,5S,8R)-3-benzyl-6-oxa-3-azabicyclo[3.2.1]octan-8-ol
CID 98010122
(1R,5R,6S,7R)-3-benzyl-7-(hydroxymethyl)-3-azabicyclo[3.2.1]octan-6-ol
CID 167380998
(4S)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 71742370
(3aR,6aS)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 59011511
(3aS,6aR)-5-benzyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-2-ium
CID 51614151
1-benzyl-4-phenylpyrrolidin-3-ol
CID 12044053
(1S,5S)-3-benzyl-3-azabicyclo[3.1.1]heptane-6-carboxylic acid
CID 98105075

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-3-benzyl-3-azabicyclo[3.2.1]octan-8-ol?
The IUPAC name of (1S,5S)-3-benzyl-3-azabicyclo[3.2.1]octan-8-ol (CID 24823154) is (1S,5S)-3-benzyl-3-azabicyclo[3.2.1]octan-8-ol.
What is the SMILES notation for (1S,5S)-3-benzyl-3-azabicyclo[3.2.1]octan-8-ol?
The canonical SMILES for (1S,5S)-3-benzyl-3-azabicyclo[3.2.1]octan-8-ol is OC1[C@H]2CC[C@H]1CN(Cc1ccccc1)C2.
What is the InChIKey of (1S,5S)-3-benzyl-3-azabicyclo[3.2.1]octan-8-ol?
The InChIKey is QBGJTVIWVSLDFA-STQMWFEESA-N. The full InChI is InChI=1S/C14H19NO/c16-14-12-6-7-13(14)10-15(9-12)8-11-4-2-1-3-5-11/h1-5,12-14,16H,6-10H2/t12-,13-/m0/s1.
What are the key properties of (1S,5S)-3-benzyl-3-azabicyclo[3.2.1]octan-8-ol?
(1S,5S)-3-benzyl-3-azabicyclo[3.2.1]octan-8-ol has a molecular weight of 217.31 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-3-benzyl-3-azabicyclo[3.2.1]octan-8-ol is sourced from PubChem (CID 24823154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).